2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole

C46H29N5O — CID 123823501

About 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole

2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole (PubChem CID 123823501) has the molecular formula C46H29N5O and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole.

Molecular Properties

• Compound Name: 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole
• PubChem CID: 123823501
• Molecular Formula: C46H29N5O
• Molecular Weight: 667.77 g/mol
• Exact Mass: 667.24
• IUPAC Name: 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole
• SMILES: c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-c5cc(-c6ccc(-c7ccncc7)cc6)cc(-c6ccncc6)n5)c4)c3o2)cc1
• InChI: InChI=1S/C46H29N5O/c1-2-7-34(8-3-1)46-50-39-17-18-43-44(45(39)52-46)38-11-4-5-12-42(38)51(43)37-10-6-9-35(27-37)41-29-36(28-40(49-41)33-21-25-48-26-22-33)31-15-13-30(14-16-31)32-19-23-47-24-20-32/h1-29H
• InChIKey: KDPDYRIJKNTHIA-UHFFFAOYSA-N
• XLogP: 11.44
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.77
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole?

The IUPAC name of 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole (CID 123823501) is 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole.

What is the SMILES notation for 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole?

The canonical SMILES for 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole is c1ccc(-c2nc3ccc4c(c5ccccc5n4-c4cccc(-c5cc(-c6ccc(-c7ccncc7)cc6)cc(-c6ccncc6)n5)c4)c3o2)cc1.

What is the InChIKey of 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole?

The InChIKey is KDPDYRIJKNTHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5O/c1-2-7-34(8-3-1)46-50-39-17-18-43-44(45(39)52-46)38-11-4-5-12-42(38)51(43)37-10-6-9-35(27-37)41-29-36(28-40(49-41)33-21-25-48-26-22-33)31-15-13-30(14-16-31)32-19-23-47-24-20-32/h1-29H.

What are the key properties of 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole?

2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole has a molecular weight of 667.77 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole is sourced from PubChem (CID 123823501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).